2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

C15H16N2O3 — CID 79325005

IUPAC2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCc1ccc(NC(=O)c2cccn2CC(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c1-2-11-5-7-12(8-6-11)16-15(20)13-4-3-9-17(13)10-14(18)19/h3-9H,2,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyORRCXFWOTXGDLG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325005) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325005
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCc1ccc(NC(=O)c2cccn2CC(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c1-2-11-5-7-12(8-6-11)16-15(20)13-4-3-9-17(13)10-14(18)19/h3-9H,2,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyORRCXFWOTXGDLG-UHFFFAOYSA-N
XLogP2.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325577
2-[2-[[4-(dimethylamino)phenyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79321914
2-[2-[(3-bromo-4-fluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104780407
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325005) is 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is CCc1ccc(NC(=O)c2cccn2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is ORRCXFWOTXGDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-11-5-7-12(8-6-11)16-15(20)13-4-3-9-17(13)10-14(18)19/h3-9H,2,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).